Synonym: N-[[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-L-leucyl-L-valine methyl ester; WPE-III-31-C
CAS Number: 398515-96-3
Empirical Formula (Hill Notation): C35H52N4O7
Molecular Weight: 640.81
MDL Number: MFCD04974985
Linear Formula: C35H52N4O7
Product Type: Chemical
| assay |
≥98% (HPLC) |
| form |
solid |
| InChI |
1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30?/m0/s1 |
| InChI key |
DINAVFJXFRFCRE-BLFWRVEASA-N |
| Quality Level |
100  |
| SMILES string |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(C)C |
| solubility |
DMSO: ≥9 mg/mL |
| storage condition |
desiccated |
| storage temp. |
−20°C |
| Biochem/physiol Actions: |
III-31-C is a (hydroxyethyl)urea γ-secretase inhibitor that binds to γ-secretase at the substrate docking site. DAPT, also a γ-secretase inhibitor binds to the substrate docking site as well. III-31-C is useful for the affinity isolation and characterization of the protease complex and for testing other ihhibitors that affect the γ-secretase active site. The γ-secretase complex is composed of presenilin as a catalytic component and three integral membrane proteins, nicastrin, Aph-1 and Pen-2. |
| Biochem/physiol Actions: |
III-31-C is a (hydroxyethyl)urea γ-secretase inhibitor. |
| Packaging: |
1, 5 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |
